N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide

C19H26N2O3S — CID 94774414

IUPACN-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCCCCOc1ccc(-c2sc(NC(C)=O)nc2C)cc1OCC
InChIInChI=1S/C19H26N2O3S/c1-5-7-8-11-24-16-10-9-15(12-17(16)23-6-2)18-13(3)20-19(25-18)21-14(4)22/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,22)
InChIKeyXVJLGFZEALOCPD-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.04
Rot. Bonds9

About N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 94774414) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID94774414
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCCCCOc1ccc(-c2sc(NC(C)=O)nc2C)cc1OCC
InChIInChI=1S/C19H26N2O3S/c1-5-7-8-11-24-16-10-9-15(12-17(16)23-6-2)18-13(3)20-19(25-18)21-14(4)22/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,22)
InChIKeyXVJLGFZEALOCPD-UHFFFAOYSA-N
XLogP5.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775313
N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82160641
[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775314
5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 82160764
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149425
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
CID 175592124
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
2-[(4-butoxy-3-ethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149454
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 2071747
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
ethyl 2-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19171599
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 5199051

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 94774414) is N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is CCCCCOc1ccc(-c2sc(NC(C)=O)nc2C)cc1OCC.
What is the InChIKey of N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is XVJLGFZEALOCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-5-7-8-11-24-16-10-9-15(12-17(16)23-6-2)18-13(3)20-19(25-18)21-14(4)22/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,22).
What are the key properties of N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 362.50 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 94774414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).